2-(azocan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]acetamide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C18H29N3O4S/c1-20(2)26(23,24)15-9-10-17(25-3)16(13-15)19-18(22)14-21-11-7-5-4-6-8-12-21/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,19,22)/p+1